SCHEMBL22965249

SCHEMBL22965249

CCC(C)(C)[S+]([O-])NC(C)c1cccc(OC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
KCNB1 Q14721 1/20 0.40
ACACB O00763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASR P41180 6/20 0.34
DAGLA Q9Y4D2 1/20 0.34
LMNA P02545 2/20 0.33
IDH1 O75874 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21303047 1.00 KCNK2 (0.40) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL28706193 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL29440462 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL28706192 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL21272682 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL21272680 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL21272686 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL29467081 0.87 KCNK2 (0.39) KCNK2KCNA5KCNH2KCNB1ACACB
SCHEMBL18595922 0.79 CASR (0.38) KCNA5KCNH2KCNB1CASRMEN1
SCHEMBL29005622 0.78 MEN1 (0.34) KCNK2KCNA5KCNH2KCNB1CASR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4241843-A2 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2023-09-13 EP disclosed
WO-2021023617-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-11 WO disclosed